SCHEMBL6617558

SCHEMBL6617558

N#Cc1ccc(N2CCC(NCC(=O)N3CC[C@H](F)C3)CC2)cc1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 8/20 0.70
PREP P48147 1/20 0.49
DPP8 Q6V1X1 1/20 0.49
DPP9 Q86TI2 1/20 0.49
DPP7 Q9UHL4 1/20 0.49
HTR7 P34969 2/20 0.46
HTR1A P08908 1/20 0.44
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
CHRM4 P08173 2/20 0.41
PRKAA2 P54646 1/20 0.40
KDM1A O60341 1/20 0.40
MAOB P27338 1/20 0.40
KDM4E B2RXH2 1/20 0.40
TP53 P04637 1/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
JAK3 P52333 1/20 0.40
ELANE P08246 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6605407 0.82 DPP4 (1.00) DPP4PREPDPP8DPP9DPP7
SCHEMBL5215649 0.82 DPP4 (1.00) DPP4PREPDPP8DPP9DPP7
Hydrochloric Acid SCHEMBL5218591 0.81 DPP4 (0.98) DPP4PREPDPP8DPP9DPP7
SCHEMBL14741020 0.73 KDM4E (0.56) DPP4PREPDPP8DPP9DPP7
SCHEMBL16567891 0.73 KDM4E (0.56) DPP4PREPDPP8DPP9DPP7
SCHEMBL20346556 0.73 KDM4E (0.65) DPP4CTSSCTSKKDM4ETP53
SCHEMBL9176481 0.72 DPP4 (0.52) DPP4HTR7HTR1ACTSSCTSK
SCHEMBL5215339 0.72 DPP4 (0.83) DPP4PREPDPP8DPP9DPP7
Hydrochloric Acid SCHEMBL5216724 0.72 DPP4 (0.82) DPP4PREPDPP8DPP9DPP7
SCHEMBL14587275 0.71 DPP4 (0.80) DPP4PREPDPP8DPP9DPP7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1399433-A2 FLUOROPYRROLIDINES AS DIPEPTIDYL PEPTIDASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-03-24 EP disclosed
WO-2003002553-A2 FLUOROPYRROLIDINES AS DIPEPTIDYL PEPTIDASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-01-09 WO disclosed